Geometry & MOs

Info

ID:	372592
PubChem CID:	131300422
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	316.99128
ΔH_f, kcal/mol:	-19.19
Dipole, Da:	3.74
IP(EA), eV:	-8.68(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-8-amino-1-iodo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C#C)O)C(=O)NC1=CC=CC=C1

DOS

IR

Vibrations